benzyl 2-(5-amino-1-methylpyrazol-3-yl)piperidine-1-carboxylate

C17H22N4O2 — CID 141364643

IUPACbenzyl 2-(5-amino-1-methylpyrazol-3-yl)piperidine-1-carboxylate
SMILESCn1nc(C2CCCCN2C(=O)OCc2ccccc2)cc1N
InChIInChI=1S/C17H22N4O2/c1-20-16(18)11-14(19-20)15-9-5-6-10-21(15)17(22)23-12-13-7-3-2-4-8-13/h2-4,7-8,11,15H,5-6,9-10,12,18H2,1H3
InChIKeyHYZSZEUNAPNAGN-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.87
Rot. Bonds3

About benzyl 2-(5-amino-1-methylpyrazol-3-yl)piperidine-1-carboxylate

benzyl 2-(5-amino-1-methylpyrazol-3-yl)piperidine-1-carboxylate (PubChem CID 141364643) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is benzyl 2-(5-amino-1-methylpyrazol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(5-amino-1-methylpyrazol-3-yl)piperidine-1-carboxylate
PubChem CID141364643
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Namebenzyl 2-(5-amino-1-methylpyrazol-3-yl)piperidine-1-carboxylate
SMILESCn1nc(C2CCCCN2C(=O)OCc2ccccc2)cc1N
InChIInChI=1S/C17H22N4O2/c1-20-16(18)11-14(19-20)15-9-5-6-10-21(15)17(22)23-12-13-7-3-2-4-8-13/h2-4,7-8,11,15H,5-6,9-10,12,18H2,1H3
InChIKeyHYZSZEUNAPNAGN-UHFFFAOYSA-N
XLogP2.87
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(5-amino-1-methylpyrazol-3-yl)piperidine-1-carboxylate?
The IUPAC name of benzyl 2-(5-amino-1-methylpyrazol-3-yl)piperidine-1-carboxylate (CID 141364643) is benzyl 2-(5-amino-1-methylpyrazol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 2-(5-amino-1-methylpyrazol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 2-(5-amino-1-methylpyrazol-3-yl)piperidine-1-carboxylate is Cn1nc(C2CCCCN2C(=O)OCc2ccccc2)cc1N.
What is the InChIKey of benzyl 2-(5-amino-1-methylpyrazol-3-yl)piperidine-1-carboxylate?
The InChIKey is HYZSZEUNAPNAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-20-16(18)11-14(19-20)15-9-5-6-10-21(15)17(22)23-12-13-7-3-2-4-8-13/h2-4,7-8,11,15H,5-6,9-10,12,18H2,1H3.
What are the key properties of benzyl 2-(5-amino-1-methylpyrazol-3-yl)piperidine-1-carboxylate?
benzyl 2-(5-amino-1-methylpyrazol-3-yl)piperidine-1-carboxylate has a molecular weight of 314.39 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(5-amino-1-methylpyrazol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 141364643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).